HMDB0055369 RDKit 3D TG(18:4(6Z,9Z,12Z,15Z)/16:0/18:4(6Z,9Z,12Z,15Z)) 151150 0 0 0 0 0 0 0 0999 V2000 3.1553 3.8639 2.2998 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6330 5.1654 2.9551 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6712 5.4973 4.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9525 6.5918 4.0617 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0216 7.6796 3.0253 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6918 7.8298 2.4555 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3793 7.6400 1.2186 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3879 7.2258 0.2088 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4473 8.2626 -0.8413 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1891 8.0205 -2.0847 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8084 6.7125 -2.6224 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7283 6.2024 -3.6466 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 5.0732 -3.5661 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2398 4.1531 -2.4176 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6833 2.8051 -2.8431 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5437 1.8347 -1.7097 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8301 1.4681 -1.0322 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4759 0.4963 0.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2804 0.9569 1.2102 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3464 -0.8517 -0.1335 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0034 -1.7147 0.9528 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8938 -3.1226 0.4826 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1590 -3.6968 -0.0936 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6962 -2.9844 -1.1826 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8322 -3.4867 -1.8165 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2912 -4.5873 -1.3435 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5407 -2.9069 -2.9416 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9705 -3.8500 -4.0254 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8911 -4.4893 -4.8073 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8893 -5.3328 -4.0534 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8859 -5.8530 -5.0237 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6072 -5.5986 -4.9729 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9799 -4.7668 -3.9449 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1219 -5.4760 -3.2040 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3614 -5.0190 -3.1877 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7752 -3.7844 -3.8911 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2750 -2.7505 -2.9668 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4894 -2.2736 -3.0683 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4527 -2.6767 -4.0446 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0024 -1.7974 -5.0399 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7441 -0.5503 -5.2909 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7625 0.2453 -4.5483 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3573 1.4372 -3.8186 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5498 -3.9795 1.5827 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4294 -4.7891 1.4976 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2869 -4.7460 0.4760 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0604 -5.7214 2.5887 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5184 -5.3333 3.9345 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0733 -4.0893 4.5316 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5509 -4.2861 4.6937 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3061 -3.2083 5.3575 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3200 -1.8651 4.7326 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9174 -1.9571 3.3588 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0554 -0.6084 2.6725 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9783 0.2992 3.4809 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1120 1.6053 2.7156 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0528 2.5526 3.4740 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5547 2.9309 4.8133 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3041 3.7016 4.9339 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2554 5.0766 4.4041 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4994 5.1938 2.9526 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4159 4.0801 1.5077 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7329 3.2222 3.0921 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0362 3.3671 1.8061 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8618 5.9085 2.2064 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6035 4.8947 3.4520 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5721 4.7279 4.8068 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2806 6.6906 4.9188 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8596 7.5056 2.3857 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2176 8.6173 3.6803 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1066 8.1364 3.1709 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6556 7.7751 0.8600 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0043 6.2331 -0.1558 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4114 7.0951 0.6081 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7271 9.3032 -0.5459 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2508 8.8409 -2.8444 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4443 5.9642 -1.9267 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1586 6.9471 -3.2349 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8572 6.8542 -4.5338 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0599 4.7465 -4.3923 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2974 3.9315 -2.0778 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7360 4.5375 -1.5420 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7089 2.9002 -3.3431 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3709 2.3395 -3.5910 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8564 2.2155 -0.9150 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0769 0.9018 -2.0761 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5523 0.9586 -1.7129 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3553 2.3029 -0.5661 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7365 -1.6524 1.7762 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0293 -1.3566 1.3423 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0985 -3.2626 -0.2915 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.7106 -0.5015 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9482 -3.8690 0.6743 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4264 -2.2753 -2.6128 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8783 -2.1492 -3.4523 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6096 -3.2549 -4.7460 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7010 -4.5938 -3.6032 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3173 -5.0998 -5.6658 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2752 -3.6941 -5.3432 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4656 -4.7448 -3.2740 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4835 -6.2181 -3.6601 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3198 -6.4962 -5.8196 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9831 -6.0486 -5.7667 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7720 -4.5689 -3.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7479 -3.7512 -4.2696 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1523 -6.3960 -2.6715 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0943 -5.6177 -2.6106 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9093 -3.3395 -4.4001 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4679 -4.0164 -4.7362 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5929 -2.3699 -2.1695 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7369 -1.5014 -2.2904 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2647 -3.6924 -4.5094 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3907 -2.9961 -3.3929 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7890 -2.2501 -5.7269 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3158 -0.0545 -6.1385 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9399 -0.2394 -4.0665 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1906 0.7966 -5.4229 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4739 2.3358 -4.4550 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3614 1.1518 -3.4606 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6773 1.7458 -2.9736 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0338 -5.8786 2.5556 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5264 -6.7231 2.3461 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6464 -5.3110 4.0016 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2379 -6.1737 4.6385 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1766 -3.2140 3.9096 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3638 -3.9672 5.5560 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6710 -5.2215 5.3127 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9840 -4.5676 3.7000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3589 -3.5936 5.5074 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9232 -3.1632 6.4297 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9646 -1.1986 5.3608 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2964 -1.4392 4.6552 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8435 -2.5273 3.3599 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1935 -2.5377 2.7153 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5202 -0.7445 1.6817 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0766 -0.1460 2.5498 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9472 -0.1760 3.6153 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4278 0.4969 4.4321 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4673 1.4026 1.7111 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1262 2.0627 2.7023 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3115 3.3611 2.7822 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0034 1.9407 3.6005 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4106 1.9627 5.3992 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3579 3.4602 5.4110 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0328 3.7279 6.0445 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4322 3.1093 4.5065 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2100 5.4763 4.6011 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8891 5.7939 5.0042 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8781 6.0544 2.5033 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5511 5.5535 2.7527 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2235 4.3374 2.3257 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 2 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 2 0 25 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 2 0 32 33 1 0 33 34 1 0 34 35 2 0 35 36 1 0 36 37 1 0 37 38 2 0 38 39 1 0 39 40 1 0 40 41 2 0 41 42 1 0 42 43 1 0 22 44 1 0 44 45 1 0 45 46 2 0 45 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 57 58 1 0 58 59 1 0 59 60 1 0 60 61 1 0 1 62 1 0 1 63 1 0 1 64 1 0 2 65 1 0 2 66 1 0 3 67 1 0 4 68 1 0 5 69 1 0 5 70 1 0 6 71 1 0 7 72 1 0 8 73 1 0 8 74 1 0 9 75 1 0 10 76 1 0 11 77 1 0 11 78 1 0 12 79 1 0 13 80 1 0 14 81 1 0 14 82 1 0 15 83 1 0 15 84 1 0 16 85 1 0 16 86 1 0 17 87 1 0 17 88 1 0 21 89 1 0 21 90 1 0 22 91 1 0 23 92 1 0 23 93 1 0 27 94 1 0 27 95 1 0 28 96 1 0 28 97 1 0 29 98 1 0 29 99 1 0 30100 1 0 30101 1 0 31102 1 0 32103 1 0 33104 1 0 33105 1 0 34106 1 0 35107 1 0 36108 1 0 36109 1 0 37110 1 0 38111 1 0 39112 1 0 39113 1 0 40114 1 0 41115 1 0 42116 1 0 42117 1 0 43118 1 0 43119 1 0 43120 1 0 47121 1 0 47122 1 0 48123 1 0 48124 1 0 49125 1 0 49126 1 0 50127 1 0 50128 1 0 51129 1 0 51130 1 0 52131 1 0 52132 1 0 53133 1 0 53134 1 0 54135 1 0 54136 1 0 55137 1 0 55138 1 0 56139 1 0 56140 1 0 57141 1 0 57142 1 0 58143 1 0 58144 1 0 59145 1 0 59146 1 0 60147 1 0 60148 1 0 61149 1 0 61150 1 0 61151 1 0 M END